SCHEMBL3922397

SCHEMBL3922397

Nc1cc(OCC(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 4/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CLK1 P49759 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8625852 0.89 PTGDR2 (0.50) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL11547097 0.82 MAPT (0.59) MAPTMEN1KMT2ALMNANPC1
SCHEMBL11547786 0.82 MAPT (0.59) MAPTMEN1KMT2ALMNANPC1
SCHEMBL3924075 0.81 ALOX15 (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL11548540 0.80 MAPT (0.57) MAPTMEN1KMT2ALMNANPC1
SCHEMBL11544085 0.80 MAPT (0.57) MAPTMEN1KMT2ALMNANPC1
SCHEMBL3922061 0.79 MAPT (0.54) MAPTMEN1KMT2ALMNANPC1
SCHEMBL10879037 0.79 MAPT (0.78) MAPTMEN1KMT2ALMNANPC1
SCHEMBL217722 0.76 LMNA (0.57) MAPTMEN1KMT2ALMNANPC1
SCHEMBL15828886 0.76 MAOB (0.54) MAPTMEN1KMT2ALMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032524-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-03-11 EP disclosed
WO-2007118818-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-1847526-A1 Coupling compounds and hair dyeing compositions containg them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed